SCHEMBL19212927

SCHEMBL19212927

C=C(Oc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.68
CYP11B2 P19099 4/20 0.68
PLAU P00749 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
F2 P00734 1/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19212982 0.82 CYP11B1 (0.65) CYP11B1CYP11B2THRBCES2CES1
SCHEMBL17723985 0.81 CYP11B1 (1.00) CYP11B1CYP11B2PLAUMRGPRX4MAPT
SCHEMBL13268611 0.79 CYP11B1 (0.59) CYP11B1CYP11B2PLAUMRGPRX4SMN1; SMN2
SCHEMBL11115730 0.79 ESR1 (0.62) CYP11B1CYP11B2THRBSMN1; SMN2RAB9A
SCHEMBL19212930 0.76 CYP11B1 (0.69) CYP11B1CYP11B2MRGPRX4RAB9A
SCHEMBL6578619 0.76 CYP11B1 (0.55) CYP11B1CYP11B2PLAUMRGPRX4SMN1; SMN2
SCHEMBL10017357 0.75 ESR1 (0.58) CYP11B1CYP11B2THRBSMN1; SMN2RAB9A
SCHEMBL12619291 0.75 ESR1 (0.58) CYP11B1CYP11B2PLAUTHRBSMN1; SMN2
SCHEMBL10016814 0.75 ESR1 (0.58) CYP11B1CYP11B2THRBSMN1; SMN2RAB9A
SCHEMBL60040 0.75 MRGPRX4 (0.56) CYP11B1CYP11B2PLAUMRGPRX4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed
US-9790217-B2 Pyridinyloxy- and phenyloxy-pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS PDXK, PNPO, PAH CYP11B1 84/4885CYP11B2 32/4885PLAU 4124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.